• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: SFD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [20, 21, 26, 53, 16]
  Fragment all atoms: [20, 79, 40, 88, 21, 80, 41, 89, 26, 81, 35, 53, 16, 76, 7, 70, 71, 52]
  

• C₆H₁₂O₆
  Fragment probability: 1.00
  Fragment mass: 306.1006
  Fragment main chain atoms: [7, 52, 56, 54, 55, 51, 6, 15, 19]
  Fragment all atoms: [7, 70, 71, 52, 56, 54, 55, 51, 6, 68, 69, 15, 75, 38, 86, 19, 78, 14, 74, 5, 66, 67, 37, 85, 39, 87]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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